[2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol

C17H23NO2S — CID 82432518

IUPAC[2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(CCOc2cc(C)ccc2C)sc1CO
InChIInChI=1S/C17H23NO2S/c1-4-5-14-16(11-19)21-17(18-14)8-9-20-15-10-12(2)6-7-13(15)3/h6-7,10,19H,4-5,8-9,11H2,1-3H3
InChIKeyMBXJBIZFRFVQMW-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.83
Rot. Bonds7

About [2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol

[2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 82432518) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is [2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID82432518
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name[2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(CCOc2cc(C)ccc2C)sc1CO
InChIInChI=1S/C17H23NO2S/c1-4-5-14-16(11-19)21-17(18-14)8-9-20-15-10-12(2)6-7-13(15)3/h6-7,10,19H,4-5,8-9,11H2,1-3H3
InChIKeyMBXJBIZFRFVQMW-UHFFFAOYSA-N
XLogP3.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(2,4-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441066
[2-[(2,5-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanethiol
CID 82431911
[2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82431915
2-[3-(2,5-dimethylphenoxy)propyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94760607
2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154594
2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
CID 82432489
2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
CID 82516401
1-[2-[2-(2-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82432483
[2-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441072
1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82191130
N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 71946146
1,4-dimethyl-2-pentoxybenzene
CID 59184214

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol (CID 82432518) is [2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(CCOc2cc(C)ccc2C)sc1CO.
What is the InChIKey of [2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is MBXJBIZFRFVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-4-5-14-16(11-19)21-17(18-14)8-9-20-15-10-12(2)6-7-13(15)3/h6-7,10,19H,4-5,8-9,11H2,1-3H3.
What are the key properties of [2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 305.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82432518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).